1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea

C19H21ClN2O — CID 150441182

IUPAC1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea
SMILESO=C(Nc1ccccc1)N(C1CCCC1)C(Cl)c1ccccc1
InChIInChI=1S/C19H21ClN2O/c20-18(15-9-3-1-4-10-15)22(17-13-7-8-14-17)19(23)21-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2,(H,21,23)
InChIKeyHLUNZTJKZCBSLB-UHFFFAOYSA-N
MW328.84 g/mol
LogP5.40
Rot. Bonds4

About 1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea

1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea (PubChem CID 150441182) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea.

Molecular Properties

Compound Name1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea
PubChem CID150441182
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea
SMILESO=C(Nc1ccccc1)N(C1CCCC1)C(Cl)c1ccccc1
InChIInChI=1S/C19H21ClN2O/c20-18(15-9-3-1-4-10-15)22(17-13-7-8-14-17)19(23)21-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2,(H,21,23)
InChIKeyHLUNZTJKZCBSLB-UHFFFAOYSA-N
XLogP5.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.84
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-1-hydroxy-3-phenylurea
CID 86182203
1-cyclohexyl-1-[1-(furan-2-yl)ethyl]-3-phenylurea
CID 4064420
methyl 2-[cyclopentyl(phenylcarbamoyl)amino]acetate
CID 115536075
1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 67700978
1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 151779518
3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea
CID 159086975
1-(3-aminopropyl)-1-cyclopentyl-3-phenylurea
CID 43319508
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
3-(4-cyanophenyl)-1-[(1S)-1-(3-cyanophenyl)ethyl]-1-cyclobutylurea
CID 158334086
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
2-[2-aminoethyl(cyclopentyl)amino]-N-phenylpropanamide
CID 63761281

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea?
The IUPAC name of 1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea (CID 150441182) is 1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea.
What is the SMILES notation for 1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea?
The canonical SMILES for 1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea is O=C(Nc1ccccc1)N(C1CCCC1)C(Cl)c1ccccc1.
What is the InChIKey of 1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea?
The InChIKey is HLUNZTJKZCBSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-18(15-9-3-1-4-10-15)22(17-13-7-8-14-17)19(23)21-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2,(H,21,23).
What are the key properties of 1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea?
1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea has a molecular weight of 328.84 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea is sourced from PubChem (CID 150441182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).